UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-2-oxo-ethyl] [2-[[2-nitro-4-(trifluoromethyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.26 11.11 -18.17 1 10 0 136 496.423 7 ↓

Analogs

36209429
36209429
36209432
36209432

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Popular Name: [(1R)-2-[(2,4-dimethylphenyl)amino]-1-methyl-2-oxo-ethyl] [(1R)-2-[(2,4-dimethylphenyl)ami…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.67 11.37 -19.81 1 7 0 90 425.51 5 ↓

Analogs

36209429
36209429
36209432
36209432

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Popular Name: [(1S)-2-[(2,4-dimethylphenyl)amino]-1-methyl-2-oxo-ethyl] [(1S)-2-[(2,4-dimethylphenyl)ami…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.67 11.38 -19.48 1 7 0 90 425.51 5 ↓

Analogs

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Popular Name: [(1R)-2-[(4-chloro-2-fluoro-phenyl)amino]-1-methyl-2-oxo-ethyl] [(1R)-2-[(4-chloro-2-fluoro-phen…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.61 10.44 -16.89 1 7 0 90 449.891 5 ↓

Analogs

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Popular Name: [(1S)-2-[(4-chloro-2-fluoro-phenyl)amino]-1-methyl-2-oxo-ethyl] [(1S)-2-[(4-chloro-2-fluoro-phen…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.61 10.49 -16.63 1 7 0 90 449.891 5 ↓

Analogs

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Popular Name: [(1R)-2-[(2-methoxy-5-methyl-phenyl)amino]-1-methyl-2-oxo-ethyl] [(1R)-2-[(2-methoxy-5-methyl-phe…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.28 9.9 -19.44 1 8 0 100 441.509 6 ↓

Analogs

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Popular Name: [(1S)-2-[(2-methoxy-5-methyl-phenyl)amino]-1-methyl-2-oxo-ethyl] [(1S)-2-[(2-methoxy-5-methyl-phe…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.28 9.94 -19.58 1 8 0 100 441.509 6 ↓

Analogs

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Popular Name: [(1R)-2-[(4-bromo-2-fluoro-phenyl)amino]-1-methyl-2-oxo-ethyl] [(1R)-2-[(4-bromo-2-fluoro-pheny…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.74 10.55 -16.83 1 7 0 90 494.342 5 ↓

Analogs

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Popular Name: [(1S)-2-[(4-bromo-2-fluoro-phenyl)amino]-1-methyl-2-oxo-ethyl] [(1S)-2-[(4-bromo-2-fluoro-pheny…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.74 10.6 -16.56 1 7 0 90 494.342 5 ↓

Analogs

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Popular Name: [(1R)-2-[(3,4-dimethoxyphenyl)amino]-1-methyl-2-oxo-ethyl] [(1R)-2-[(3,4-dimethoxyphenyl)am…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.49 9.03 -22.43 1 9 0 109 457.508 7 ↓

Analogs

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Popular Name: [(1S)-2-[(3,4-dimethoxyphenyl)amino]-1-methyl-2-oxo-ethyl] [(1S)-2-[(3,4-dimethoxyphenyl)am…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.49 9.05 -22.3 1 9 0 109 457.508 7 ↓

Analogs

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Popular Name: [(1R)-2-[(2-ethoxyphenyl)amino]-1-methyl-2-oxo-ethyl] [(1R)-2-[(2-ethoxyphenyl)amino]-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.23 10.15 -18.89 1 8 0 100 441.509 7 ↓

Analogs

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Popular Name: [(1S)-2-[(2-ethoxyphenyl)amino]-1-methyl-2-oxo-ethyl] [(1S)-2-[(2-ethoxyphenyl)amino]-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.23 10.19 -18.98 1 8 0 100 441.509 7 ↓

Analogs

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Popular Name: [(1R)-2-[(3-fluoro-4-methyl-phenyl)amino]-1-methyl-2-oxo-ethyl] [(1R)-2-[(3-fluoro-4-methyl-phen…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.38 10.52 -21.9 1 7 0 90 429.473 5 ↓

Analogs

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Popular Name: [(1S)-2-[(3-fluoro-4-methyl-phenyl)amino]-1-methyl-2-oxo-ethyl] [(1S)-2-[(3-fluoro-4-methyl-phen…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.38 10.57 -22.55 1 7 0 90 429.473 5 ↓

Analogs

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Popular Name: [(1R)-2-[(4-chloro-2-methoxy-5-methyl-phenyl)amino]-1-methyl-2-oxo-ethyl] [(1R)-2-[(4-chloro-2-methoxy-5-m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.88 10.33 -18.34 1 8 0 100 475.954 6 ↓

Analogs

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Popular Name: [(1S)-2-[(4-chloro-2-methoxy-5-methyl-phenyl)amino]-1-methyl-2-oxo-ethyl] [(1S)-2-[(4-chloro-2-methoxy-5-m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.88 10.36 -18.26 1 8 0 100 475.954 6 ↓

Analogs

21671832
21671832

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Popular Name: [(1R)-2-[(2-acetylphenyl)amino]-1-methyl-2-oxo-ethyl] [(1R)-2-[(2-acetylphenyl)amino]-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.69 10.77 -21.52 1 8 0 107 439.493 6 ↓

Analogs

21671832
21671832

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Popular Name: [(1S)-2-[(2-acetylphenyl)amino]-1-methyl-2-oxo-ethyl] [(1S)-2-[(2-acetylphenyl)amino]-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.69 10.66 -21.13 1 8 0 107 439.493 6 ↓

Analogs

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Popular Name: [(1R)-2-[(3-chloro-4-cyano-phenyl)amino]-1-methyl-2-oxo-ethyl] [(1R)-2-[(3-chloro-4-cyano-pheny…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.20 10.64 -20.86 1 8 0 114 456.911 5 ↓

Analogs

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Popular Name: [(1S)-2-[(3-chloro-4-cyano-phenyl)amino]-1-methyl-2-oxo-ethyl] [(1S)-2-[(3-chloro-4-cyano-pheny…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.20 10.67 -21.1 1 8 0 114 456.911 5 ↓

Parameters Provided:

ring.id = 108240
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 108240 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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